acetic acid;diphenylmethanone;hydrate

C15H16O4 — CID 161284686

IUPACacetic acid;diphenylmethanone;hydrate
SMILESCC(=O)O.O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C2H4O2.H2O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2(3)4;/h1-10H;1H3,(H,3,4);1H2
InChIKeyNFTXXCMLSBBGCF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.18
Rot. Bonds2

About acetic acid;diphenylmethanone;hydrate

acetic acid;diphenylmethanone;hydrate (PubChem CID 161284686) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is acetic acid;diphenylmethanone;hydrate.

Molecular Properties

Compound Nameacetic acid;diphenylmethanone;hydrate
PubChem CID161284686
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Nameacetic acid;diphenylmethanone;hydrate
SMILESCC(=O)O.O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C2H4O2.H2O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2(3)4;/h1-10H;1H3,(H,3,4);1H2
InChIKeyNFTXXCMLSBBGCF-UHFFFAOYSA-N
XLogP2.18
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
cobalt(2+);diphenylmethanone
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CID 19380838
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
2,2-dimethylpropane;diphenylmethanone
CID 159191976
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702

Frequently Asked Questions

What is the IUPAC name of acetic acid;diphenylmethanone;hydrate?
The IUPAC name of acetic acid;diphenylmethanone;hydrate (CID 161284686) is acetic acid;diphenylmethanone;hydrate.
What is the SMILES notation for acetic acid;diphenylmethanone;hydrate?
The canonical SMILES for acetic acid;diphenylmethanone;hydrate is CC(=O)O.O.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of acetic acid;diphenylmethanone;hydrate?
The InChIKey is NFTXXCMLSBBGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C2H4O2.H2O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2(3)4;/h1-10H;1H3,(H,3,4);1H2.
What are the key properties of acetic acid;diphenylmethanone;hydrate?
acetic acid;diphenylmethanone;hydrate has a molecular weight of 260.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;diphenylmethanone;hydrate is sourced from PubChem (CID 161284686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).